CID 24229785

3-amino-5-hydroxybenzoic acid, n-cbz protected

Structural Information

Molecular Formula
C15H13NO5
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC(=CC(=C2)C(=O)O)O
InChI
InChI=1S/C15H13NO5/c17-13-7-11(14(18)19)6-12(8-13)16-15(20)21-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,16,20)(H,18,19)
InChIKey
DIPYTSQSLOJNFI-UHFFFAOYSA-N
Compound name
3-hydroxy-5-(phenylmethoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

287.07938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08666 162.5
[M+Na]+ 310.06860 168.3
[M-H]- 286.07210 166.8
[M+NH4]+ 305.11320 176.0
[M+K]+ 326.04254 165.5
[M+H-H2O]+ 270.07664 154.8
[M+HCOO]- 332.07758 184.0
[M+CH3COO]- 346.09323 196.9
[M+Na-2H]- 308.05405 165.8
[M]+ 287.07883 162.6
[M]- 287.07993 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe